化学式

CAS号

IUPAC Name

(2S)-5-氨基-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)氨基]-3-carboxypropanoyl]-chloroamino]-2-phenylacetyl]氨基]-4-carboxybutanoyl]氨基]-4-carboxybutanoyl]氨基]-3-methylpentanoyl]吡咯烷-2-羰基]氨基]-4-ca (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]-chloroamino]-2-phenylacetyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

InChI

InChI=1S/C65H90ClN13O28S/c1-5-33(4)53(77-58(95)40(21-26-51(88)89)71-56(93)39(20-25-50(86)87)73-62(99)54(35-10-7-6-8-11-35)79(66)63(100)44(30-52(90)91)69-47(81)31-67)64(101)78-27-9-12-45(78)61(98)72-38(19-24-49(84)85)55(92)70-37(18-23-48(82)83)57(94)76-43(29-34-13-15-36(16-14-34)107-108(104,105)106)60(97)75-42(28-32(2)3)59(96)74-41(65(102)103)17-22-46(68)80/h6-8,10-11,13-16,32-33,37-45,53-54H,5,9,12,17-31,67H2,1-4H3,(H2,68,80)(H,69,81)(H,70,92)(H,71,93)(H,72,98)(H,73,99)(H,74,96)(H,75,97)(H,76,94)(H,77,95)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,102,103)(H,104,105,106)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1

InChI Key

OVJOEZFQUUCHJD-GXDLPSJPSA-N

Canonical SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C3=CC=CC=C3)N(C(=O)C(CC(=O)O)NC(=O)CN)Cl

别名

• CHEMBL1159676